EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

amber cyclohexanol
ambrate (Givaudan)

Supplier Sponsors

Name:(2-butan-2-yl-1-ethynylcyclohexyl) acetate
CAS Number: 37172-05-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:253-378-6
Nikkaji Web:J260.752B
Beilstein Number:2212862
XlogP3-AA:3.60 (est)
Molecular Weight:222.32774000
Formula:C14 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 268.23 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.008000 mmHg @ 25.00 °C. (est)
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 4.089 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 3.696 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 detergent
 soap
Similar Items:note
(2-butan-2-yl-1-ethenylcyclohexyl) acetate
 
Organoleptic Properties:
Odor Type: amber
Odor Strength:medium
Substantivity:64 hour(s) at 100.00 %
woody amber dry guaiacwood
Odor Description:at 100.00 %. woody amber dry guaiacwood
Luebke, William tgsc, (1989)
Odor sample from: Givaudan Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-Acetoxy-2-sec-butyl-1-ethynylcyclohexane
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 680 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 3S, 1992.

Dermal Toxicity:
skin-rabbit LD50 2000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 3S, 1992.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for amber cyclohexanol usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Recommendation for amber cyclohexanol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):37172-05-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :161936
National Institute of Allergy and Infectious Diseases:Data
(2-butan-2-yl-1-ethynylcyclohexyl) acetate
Chemidplus:0037172057
 
References:
 (2-butan-2-yl-1-ethynylcyclohexyl) acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:37172-05-7
Pubchem (cid):161936
Pubchem (sid):135117438
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
2-
methyl undecanal (aldehyde C-12 mna)
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
amber
(Z)-
abienol
FL/FR
acetoxymethyl isolongifolene
FR
amber acetate
FR
amber butanol
FR
amber carane
FR
amber furan
FR
amber specialty
FR
amber spirolene
FR
ambergris tincture
FL/FR
ambermax 50 (Givaudan)
FR
ambrein
FR
ambrette seed absolute
FL/FR
alpha-
ambrinol
FL/FR
ambroxan
FL/FR
ambroxide
FL/FR
angelica root oil
FL/FR
cistus ladaniferus resinoid
FL/FR
formoxymethyl isolongifolene
FR
hydroxymethyl isolongifolene 50% in dpg
FR
labdanum absolute
FL/FR
animal
animal carbolactone
FR
civet absolute
FL/FR
costus valerolactone
FR
indole
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
1-
benzoyl acetone
FL/FR
fir carboxylate
FR
mastic gum resin
FR
methyl hydrogenated rosinate
FR
opoponax resin (commiphora erythraea var. glabrescens engler)
FL/FR
opoponax resinoid replacer
FR
oriental specialty
FR
peru balsam oil
FL/FR
sclareol
FL/FR
styrax resin (liquidambar styraciflua)
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
tolu balsam
FL/FR
bitter
gentian absolute
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citronellone
FR
bitter
orange peel oil
FL/FR
dusty
woody furan
FR
floral
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
bois de rose oil brazil
FL/FR
dihydrolinalool
FL/FR
floral undecenone
FR
iso
jasmone
FL/FR
lilyall
FR
linalool oxide
FL/FR
orris pyridine 25% IPM
FR
primrose fragrance
FR
rhodinol
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
fruity
balsam specialty
FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
valeriana officinalis root extract
FL/FR
green
methyl cyclocitrone (IFF)
FR
oakmoss oil
FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
herbal
(+)-alpha-
campholenic aldehyde
FL/FR
clary sage oil france
FL/FR
clary specialty
FR
daucus carota fruit oil
FL/FR
herbal carene
FR
lavandin water absolute
FL/FR
beta-
pinene
FL/FR
laevo-beta-
pinene
FL/FR
romanal
FR
leathery
castoreum absolute
FL/FR
mossy
moss specialty
FR
oakmoss absolute
FL/FR
treemoss absolute
FR
musk
iso
ambrettolide
FL/FR
(Z)-
civet decenone
FL/FR
dehydro beta-linalool
FL/FR
juniper lactone
FL/FR
oily
mcp acetate
FR
powdery
midnight passion fragrance
FR
spicy
angelica seed absolute
FL/FR
beta-
caryophyllene
FL/FR
marjoram oil (thymus mastichina) spain
FL/FR
terpenic
angelica seed oil
FL/FR
cypress leaf oil
FR
frankincense oil
FL/FR
tonka
tonka bean absolute
FR
vanilla
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillin
FL/FR
woody
acetyl cedrene
FR
agarwood oil
FR
amber carbinol
FR
amber dioxane
FR
amber formate
FR
amber pentadecane
FR
beta-
caryophyllene alcohol acetate
FL/FR
atlas
cedarwood absolute
FR
atlas
cedarwood oil
FR
cedarwood oil alcohols
FL/FR
cedarwood oil texas fractions
FR
cedarwood oil virginia
FR
cedrela wood oil
FR
alpha-
cedrene epoxide
FR
cedrenyl acetate
FR
cedrol methyl ether
FR
cedryl formate
FR
cistus twig/leaf oil
FL/FR
2-
decalinyl formate
FR
dragons blood fragrance
FR
frankincense resinoid replacer
FR
georgywood
FR
guaiene
FL/FR
hinoki root oil
FR
hydroxyambran
FR
labdanum concrete
FR
labdanum ethanone
FR
louro brasileiro wood oil
FR
para-
menth-3-en-1-ol
FL/FR
2-
methoxy-4-vinyl phenol
FL/FR
methyl vetivate
FR
(4aR,5R,7aS,9R)-
octahydro-2,2,5,8,8,9a-hexamethyl-4h-4a,9-methanoazuleno(5,6-d)-1,3-dioxole
FR
patchouli ethanone
FR
patchouli fractions
FR
patchouli oil
FL/FR
patchouli woody amber fragrance
FR
sandalwood oil
FL/FR
sandalwood oil west australia (santalum spicatum)
FR
santall
FR
tetramethyl-4-methylene-2-heptanol
FR
thujopsis dolabrata wood oil
FR
tobacarol (IFF)
FR
vetiver oil haiti
FL/FR
vetiver specialty
FR
vetiveryl acetate
FL/FR
woody dioxolane
FR
woody ether
FR
woody nonane (ethoxy)
FR
woody propanol
FR
For Flavor
No flavor group found for these
ambergris tincture
FL/FR
ambroxide
FL/FR
1-
benzoyl acetone
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
cedarwood oil alcohols
FL/FR
cistus ladaniferus resinoid
FL/FR
dehydro beta-linalool
FL/FR
gentian absolute
FL/FR
para-
menth-3-en-1-ol
FL/FR
laevo-beta-
pinene
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
vetiveryl acetate
FL/FR
amber
amber
alpha-
ambrinol
FL/FR
angelica seed oil
FL/FR
labdanum absolute
FL/FR
animal
civet absolute
FL/FR
indole
FL/FR
balsamic
siam
benzoin resinoid
FL/FR
opoponax resin (commiphora erythraea var. glabrescens engler)
FL/FR
peru balsam oil
FL/FR
styrax resin (liquidambar styraciflua)
FL/FR
styrax resinoid (liquidambar styraciflua)
FL/FR
tolu balsam
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
bitter
orange peel oil
FL/FR
creamy
dihydrocoumarin
FL
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
dihydrolinalool
FL/FR
rhodinol
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
fruity
benzyl acetate
FL/FR
valeriana officinalis root extract
FL/FR
green
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
iso
jasmone
FL/FR
linalool oxide
FL/FR
oakmoss absolute
FL/FR
herbal
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
lavandin water absolute
FL/FR
leathery
castoreum absolute
FL/FR
musk
iso
ambrettolide
FL/FR
(Z)-
civet decenone
FL/FR
juniper lactone
FL/FR
pine
beta-
pinene
FL/FR
smoky
2-
methoxy-4-vinyl phenol
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
angelica seed absolute
FL/FR
beta-
caryophyllene
FL/FR
marjoram oil (thymus mastichina) spain
FL/FR
vanilla
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillin
FL/FR
waxy
2-
methyl undecanal (aldehyde C-12 mna)
FL/FR
woody
(Z)-
abienol
FL/FR
ambrette seed absolute
FL/FR
ambroxan
FL/FR
cistus twig/leaf oil
FL/FR
frankincense oil
FL/FR
guaiene
FL/FR
patchouli oil
FL/FR
sandalwood oil
FL/FR
sclareol
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
FRamber
FRambergris
FRambreine
FRambrette oil replacer
FRanimal
FRbaby powder
FRbalsam
FRbay rum
FRbayberry
FRblue grass
FRbouquet
FRcabreuva wood
FRcastoreum
FRcedar forest
FRchypre
FRcigar
FRclean linen
FRcoronilla
FRdeertongue absolute replacer
FRearth
 fantasy blends
FRfern
FRfir balsam
FRfloral
FL/FRguaiacwood
FRhabuba
FRhay new mown hay
FRheather
FRherbal
FRhollyberry
FRincense
FRjuniper berry
FRlabdanum
FRleather
FRleather russian leather
FRmaja
FRmoss
FRmusk
FRocean sea
FRoriental
FRpatchouli
FRpine forest
FRpowder
FRrain
FRspice
FRspring rain
FRsweet grass
FRtonka bean
FRvanilla
FRwoodruff
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-acetoxy-1-ethynyl-2-sec-butyl cyclohexanol
 acetoxy-2-sec-butyl-1-ethynyl cyclohexane
 acetoxy-2-sec-butyl-1-ethynylcyclohexane
 ambrate (Givaudan)
(2-butan-2-yl-1-ethynyl-cyclohexyl) ethanoate
(2-butan-2-yl-1-ethynylcyclohexyl) acetate
2-sec-butyl-1-ethynylcyclohexyl acetate
 cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, acetate
1-ethynyl-2-(1-methyl propyl) cyclohexanol acetate
1-ethynyl-2-(1-methyl propyl) cyclohexyl acetate
1-ethynyl-2-(1-methylpropyl)cyclohexanol acetate
1-ethynyl-2-(1-methylpropyl)cyclohexyl acetate
 

Articles:

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Notes:
Improve the diffusion in soap.
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